N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide

C10H7F5N2O2S — CID 122482945

IUPACN-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnco1
InChIInChI=1S/C10H7F5N2O2S/c11-20(12,13,14,15)8-3-1-7(2-4-8)17-10(18)9-5-16-6-19-9/h1-6H,(H,17,18)
InChIKeyIWWBUNPATUDOCR-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.58
Rot. Bonds3

About N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide

N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 122482945) has the molecular formula C10H7F5N2O2S and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide
PubChem CID122482945
Molecular FormulaC10H7F5N2O2S
Molecular Weight314.24 g/mol
Exact Mass314.01
IUPAC NameN-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnco1
InChIInChI=1S/C10H7F5N2O2S/c11-20(12,13,14,15)8-3-1-7(2-4-8)17-10(18)9-5-16-6-19-9/h1-6H,(H,17,18)
InChIKeyIWWBUNPATUDOCR-UHFFFAOYSA-N
XLogP4.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-1,3-oxazole-5-carboxamide
CID 110864881
N-(3-fluorophenyl)-1,3-oxazole-5-carboxamide
CID 96596303
N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide
CID 96596349
N-(2,3-dimethyl-4-pyridinyl)-1,3-oxazole-5-carboxamide
CID 162466543
N-[3-[(2-chloro-4-methylbenzoyl)amino]phenyl]-1,3-oxazole-5-carboxamide
CID 166761844
N-propyl-1,3-oxazole-5-carboxamide
CID 69350918
1,3-oxazole-5-carboxamide
CID 22318809
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
4-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60811320
methane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 159351221
N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide
CID 96586898
N-(3-aminopropyl)-1,3-oxazole-5-carboxamide
CID 83617625

Frequently Asked Questions

What is the IUPAC name of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide (CID 122482945) is N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnco1.
What is the InChIKey of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is IWWBUNPATUDOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O2S/c11-20(12,13,14,15)8-3-1-7(2-4-8)17-10(18)9-5-16-6-19-9/h1-6H,(H,17,18).
What are the key properties of N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide?
N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 314.24 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 122482945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).